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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL260829
CHEMBL260829
Compound Name NEFIRACETAM
ChEMBL Synonyms Nefiracetam
Max Phase 0
Trade Names
Molecular Formula C14H18N2O2

Additional synonyms for CHEMBL260829 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cccc(C)c1NC(=O)CN2CCCC2=O
Standard InChI InChI=1S/C14H18N2O2/c1-10-5-3-6-11(2)14(10)15-12(17)9-16-8-4 ...
Download InChI
Standard InChI Key NGHTXZCKLWZPGK-UHFFFAOYSA-N

Molecule Features

CHEMBL260829 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

There are no structural alerts for CHEMBL260829

Alternate Forms of Compound in ChEMBL


CHEMBL260829

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL260829. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.989
CHEMBL4096 Cellular tumor antigen p53 Homo sapiens 0.933
CHEMBL6141 Acyl-CoA:cholesterol acyltransferase Oryctolagus cuniculus 0.910
CHEMBL1287622 Lethal(3)malignant brain tumor-like protein 1 Homo sapiens 0.828
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.617
CHEMBL244 Coagulation factor X Homo sapiens 0.600
CHEMBL2392 DNA polymerase beta Homo sapiens 0.491
CHEMBL2608 Lysosomal alpha-glucosidase Homo sapiens 0.379
CHEMBL5514 Huntingtin Homo sapiens 0.242



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.980
CHEMBL4096 Cellular tumor antigen p53 Homo sapiens 0.865
CHEMBL6141 Acyl-CoA:cholesterol acyltransferase Oryctolagus cuniculus 0.723
CHEMBL2608 Lysosomal alpha-glucosidase Homo sapiens 0.689
CHEMBL2392 DNA polymerase beta Homo sapiens 0.574
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.492
CHEMBL1287622 Lethal(3)malignant brain tumor-like protein 1 Homo sapiens 0.459
CHEMBL6110 Thioredoxin glutathione reductase Schistosoma mansoni 0.404
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.254
CHEMBL5514 Huntingtin Homo sapiens 0.220

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
246.3 246.1368 1.44 3 49.41 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.77 1.76 .64 .64 1 18 0.88

Compound Cross References

ChemSpider ChemSpider:NGHTXZCKLWZPGK-UHFFFAOYSA-N
PubChem SID: 144207070 SID: 144209114 SID: 144213342 SID: 170466286 SID: 174007185 SID: 90340767
Wikipedia Nefiracetam

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL260829



ACToR 77191-36-7
eMolecules 2728962
FDA SRS 1JK12GX30N
IBM Patent System 300D3873B9EFBD669EC65B76714C8698
Mcule MCULE-6030817685
MolPort MolPort-006-666-274
Nikkaji J277.768A
PubChem 71157
PubChem: Drugs of the Future 12013546
PubChem: Thomson Pharma 14823324
Selleck Nefiracetam(Translon)
SureChEMBL SCHEMBL135856
ZINC ZINC00003788

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/NGHTXZCKLWZPGK-UHFFFAOYSA-N spacer
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